5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole

C21H18N2O — CID 162734756

IUPAC5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole
SMILESC=C(C)c1nn(-c2ccccc2)c2c1cc(OC)c1ccccc12
InChIInChI=1S/C21H18N2O/c1-14(2)20-18-13-19(24-3)16-11-7-8-12-17(16)21(18)23(22-20)15-9-5-4-6-10-15/h4-13H,1H2,2-3H3
InChIKeyWLOCMNQGPILSMS-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.22
Rot. Bonds3

About 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole

5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole (PubChem CID 162734756) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole.

Molecular Properties

Compound Name5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole
PubChem CID162734756
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole
SMILESC=C(C)c1nn(-c2ccccc2)c2c1cc(OC)c1ccccc12
InChIInChI=1S/C21H18N2O/c1-14(2)20-18-13-19(24-3)16-11-7-8-12-17(16)21(18)23(22-20)15-9-5-4-6-10-15/h4-13H,1H2,2-3H3
InChIKeyWLOCMNQGPILSMS-UHFFFAOYSA-N
XLogP5.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole
CID 162734653
1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
CID 53308687
4-methoxy-2-prop-1-en-2-ylquinoline
CID 119087132
5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
CID 155753444
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4905828
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole?
The IUPAC name of 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole (CID 162734756) is 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole.
What is the SMILES notation for 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole?
The canonical SMILES for 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole is C=C(C)c1nn(-c2ccccc2)c2c1cc(OC)c1ccccc12.
What is the InChIKey of 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole?
The InChIKey is WLOCMNQGPILSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14(2)20-18-13-19(24-3)16-11-7-8-12-17(16)21(18)23(22-20)15-9-5-4-6-10-15/h4-13H,1H2,2-3H3.
What are the key properties of 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole?
5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole has a molecular weight of 314.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole is sourced from PubChem (CID 162734756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).